KinCore

PDB: 9CDY — TKL M3K12_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	9CDYA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
TKL	MAP3K12	M3K12_HUMAN	9CDYA	Q12852	117	397	859.0	A1AZ8:501	Type1	Inactive	DFGin	6.2934	13.9612	BLBplus	-140.85, 173.29	70.22, 37.43	-109.99, 164.75	58.42, 92.35	116.78, 52.38	out-na	out	13.6816	Saltbr-na	13.4972	HRD-in	-66.42, -55.44	82.84, -15.63	na-out-out	SNCaoo	out-out	ActLoopNT-out	10.4278	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_nnoo	APE10-dihe-na	999.0, -33.28	APE9-dihe-na	-82.02, 24.26	APE8-dihe-out	-138.17, -34.24	APE8-rot-out	201.2	APE67-dihe-in	-63.23, -20.35	-75.74, -14.65	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	23.0209	APE9-dist-out	12.6886	None	None	None	XRAY	1.5	0.206	0.24	A	300.0	274.0	7	27	20	7	[[118, 372]]	1.0	9cdy	TKL_MAP3K12_HUMAN	MAP3K123	1.5e-137	462.8	1.0	254.0	254.0	253	254	255	257	259	152	161	165	233	235	234	236.0	292	280	275	274	273	272	271	270	269	191	Mitogen-activated protein kinase kinase kinase 12

PDB: 9CDY — TKL M3K12_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	9CDYA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
TKL	MAP3K12	M3K12_HUMAN	9CDYA	Q12852	117	397	859.0	A1AZ8:501	Type1	Inactive	DFGin	6.2934	13.9612	BLBplus	-140.85, 173.29	70.22, 37.43	-109.99, 164.75	58.42, 92.35	116.78, 52.38	out-na	out	13.6816	Saltbr-na	13.4972	HRD-in	-66.42, -55.44	82.84, -15.63	na-out-out	SNCaoo	out-out	ActLoopNT-out	10.4278	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_nnoo	APE10-dihe-na	999.0, -33.28	APE9-dihe-na	-82.02, 24.26	APE8-dihe-out	-138.17, -34.24	APE8-rot-out	201.2	APE67-dihe-in	-63.23, -20.35	-75.74, -14.65	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	23.0209	APE9-dist-out	12.6886	None	None	None	XRAY	1.5	0.206	0.24	A	300.0	274.0	7	27	20	7	[[118, 372]]	1.0	9cdy	Homo sapiens	TKL_MAP3K12_HUMAN	MAP3K123	1.5e-137	462.8	1.0	254.0	254.0	253	254	255	257	259	152	161	165	233	235	234	236.0	292	280	275	274	273	272	271	270	269	191	Mitogen-activated protein kinase kinase kinase 12

PDB: 9CDY — TKL M3K12_HUMAN

Total number of chains: 0

Active chains: 0

Total number of genes: 0

Spatial label	Dihedral label	Number of Chains	Percent	Representative

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name